SCHEMBL7872355

SCHEMBL7872355

COc1cccc(COc2ccccc2C(O)C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.54
HTR1A P08908 3/20 0.54
DRD2 P14416 2/20 0.54
SGMS2 Q8NHU3 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10856559 0.80 SGMS2 (0.53) HTR1ASGMS2ALDH1A1LMNAGAA
SCHEMBL7872437 0.77 SGMS2 (0.54) ABCB1HTR1ADRD2SGMS2ALDH1A1
SCHEMBL2580244 0.76 MAOB (0.55) ABCB1HTR1ADRD2SGMS2ALDH1A1
SCHEMBL22144397 0.76 TSHR (0.47) SGMS2ALDH1A1LMNAKDM4EMAPT
SCHEMBL1199570 0.76 TSHR (0.47) SGMS2ALDH1A1LMNAKDM4EMAPT
SCHEMBL1200542 0.75 CTDSP1 (0.46) SGMS2ALDH1A1LMNAGAAKDM4E
SCHEMBL12301142 0.74 ABCB1 (0.67) ABCB1HTR1ADRD2ADRA1DADRA1A
SCHEMBL9229299 0.74 TAAR1 (0.51) ABCB1HTR1ADRD2SGMS2ALDH1A1
SCHEMBL29957299 0.73 ENPP2 (0.68) ABCB1HTR1ADRD2ADRA1DADRA1A
SCHEMBL5643074 0.73 ABCB1 (0.74) ABCB1HTR1ADRD2ADRA1DADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307068-B1 TREATING OR IN PREVENTING CANCER. ADIR ET COMPAGNIE (FR) 2001-10-23 US disclosed